Geometry & MOs

Info

ID:	406126
PubChem CID:	135076601
Reduced:	ClNS2O6H18C23 (1)
Stoich.:	ABC2D6E18F23 (1)
Weight, g/mol:	301.134575
ΔH_f, kcal/mol:	-167.39
Dipole, Da:	7.72
IP(EA), eV:	-8.75(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-chloro-N-(7-methylocta-2,6-dienyl)quinoxalin-2-amine

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)OC2=NC(=C3C=CC(=CC3=C2)Cl)OS(=O)(=O)C4=CC=C(C=C4)C

DOS

IR

Vibrations